AG003BT9

129619-37-0 | (3R,6R)-3,6-OCTANEDIOL

AG003BT9

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CAS Number	129619-37-0
Catalog Number	AG003BT9(AGN-PC-0O0WUE)
Chemical Name	(3R,6R)-3,6-OCTANEDIOL
IUPAC Name	(3R,6R)-octane-3,6-diol
InChI	InChI=1S/C8H18O2/c1-3-7(9)5-6-8(10)4-2/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChI Key	BCKOQWWRTRBSGR-HTQZYQBOSA-N
MDL Number	MFCD01631087
Molecular Formula	C8H18O2
Molecular Weight	146.2273
SMILES	CC[C@@H](O)CC[C@H](O)CC
Synonyms	(3R,6R)-3,6-Octanediol, 129619-37-0, (3R,6R)-octane-3,6-diol, 3,6-Octanediol, (3R,6R)-, (3R,6R)-(-)-3,6-OCTANEDIOL, AC1MC1DF, (3r,3r)-3,6-octadiol, SCHEMBL619867, 3,6-Octanediol,(3R,6R)-, CTK4B6340, (3R,6R)-3,6-Dihydroxyoctane, DTXSID60370357, ZINC2381572, ANW-19139, MFCD01631087, AKOS015841934, AJ-34699, AS-36796, DB-062701, TC-107884, TR-004080, FT-0604723, FT-0604724, O0293, J-005695, I14-93548, (3S,6S)-3,6-OCTANEDIOL, ZINC02381572, CID2734541, 136705-66-3,

Complexity	63.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	146.131g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	146.23g/mol
Monoisotopic Mass	146.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number